ethyl 4-(3-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chlorophenyl)thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chlorophenyl)thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13ClN2O2S2 MolecularWeight: 340.84822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC(=CC=C2)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC(=CC=C2)Cl)SC

InChI

InChI=1S/C14H13ClN2O2S2/c1-3-19-13(18)11-8-16-14(20-2)17-12(11)21-10-6-4-5-9(15)7-10/h4-8H,3H2,1-2H3